2-methoxy-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-methoxy-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
2-methoxy-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | V005-4478 |
| Compound Name: | 2-methoxy-1-(4-{6-methyl-5-[(4-nitrophenyl)methyl]-2-(propan-2-yl)pyrimidin-4-yl}piperazin-1-yl)ethan-1-one |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(C)c(Cc2ccc(cc2)[N+]([O-])=O)c(n1)N1CCN(CC1)C(COC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1941 |
| logD: | 3.0596 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.506 |
| InChI Key: | ITAZZZOLNBSODV-UHFFFAOYSA-N |